| Entry |
|
|---|
| Name |
Aliskiren (USAN/INN);
Rasilez (TN) |
|---|
| Formula |
C30H53N3O6
|
|---|
| Exact mass |
551.3934
|
|---|
| Mol weight |
551.7583
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01925 Renin-angiotensin system inhibitor
DG01923 Renin inhibitor
DG03231 Antihypertensive
DG01923 Renin inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
|---|
| Remark |
| Product (DG00352): | D06412<JP/US> |
|
|---|
| Efficacy |
Antihypertensive, Renin inhibitor |
|---|
| Comment |
Treatment of essential hypertension
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07217 | Renin-angiotensin system inhibitors |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
C09X OTHER AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
C09XA Renin-inhibitors
C09XA02 Aliskiren
D03208 Aliskiren (USAN/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01925 Renin-angiotensin system inhibitor
DG01923 Renin inhibitor
DG00352 Aliskiren
D03208 Aliskiren
DG03231 Antihypertensive
DG01923 Renin inhibitor
DG00352 Aliskiren
D03208 Aliskiren
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00352 Aliskiren
D03208 Aliskiren
Transporter substrate
DG01665 ABCB1 substrate
DG00352 Aliskiren
D03208 Aliskiren
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Aspartic peptidases
REN
D03208 Aliskiren (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D03208
Drug transporters
D03208
Drug groups [BR:br08330]
Cardiovascular agent
DG01925 Renin-angiotensin system inhibitor
DG01923 Renin inhibitor
DG00352 Aliskiren
DG03231 Antihypertensive
DG01923 Renin inhibitor
DG00352 Aliskiren
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00352 Aliskiren
Transporter substrate
DG01665 ABCB1 substrate
DG00352 Aliskiren
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 39
1 C8x C 25.2686 -13.2653
2 C8y C 25.2686 -14.6393
3 C8x C 26.4366 -15.3263
4 C8y C 27.6731 -14.6393
5 C8y C 27.6731 -13.2653
6 C8x C 26.4366 -12.5784
7 O2a O 28.8410 -12.5784
8 C1a C 30.0089 -13.2653
9 C1b C 24.1008 -15.3263
10 O2a O 28.8573 -15.3361
11 C1b C 30.0445 -14.6636
12 C1b C 31.2674 -15.3263
13 C1b C 32.4573 -14.6393
14 O2a O 33.6472 -15.3263
15 C1a C 34.8371 -14.6393
16 C1c C 22.9109 -14.6393
17 C1b C 21.7210 -15.3263
18 C1c C 20.5311 -14.6393
19 C1c C 19.3413 -15.3263
20 C1b C 18.1514 -14.6393
21 C1c C 16.9615 -15.3263
22 C5a C 15.7716 -14.6393
23 N1b N 14.5818 -15.3263
24 C1b C 13.3919 -14.6393
25 C1d C 12.2019 -15.3263
26 C5a C 11.0121 -14.6393
27 N1a N 9.8223 -15.3263
28 O5a O 15.7716 -13.2654
29 C1a C 11.0121 -16.0132
30 C1a C 13.3919 -16.0132
31 O5a O 11.0121 -13.2657
32 C1c C 16.9615 -17.1124
33 C1a C 15.7676 -17.8016
34 C1a C 18.1475 -17.7971
35 O1a O 19.3416 -16.7107
36 N1a N 20.5306 -13.2152
37 C1c C 22.9109 -12.7159
38 C1a C 24.1173 -12.0193
39 C1a C 21.7375 -12.0384
BOND 39
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 2 9 1
10 4 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 9 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 22 28 2
29 25 29 1
30 25 30 1
31 26 31 2
32 32 33 1
33 32 34 1
34 21 32 1 #Up
35 19 35 1 #Up
36 18 36 1 #Up
37 37 38 1
38 37 39 1
39 16 37 1 #Up
|
|---|
